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Summary

Name:3-HYDROXYIMINO QUINIC ACID
Formula:C7 H11 N O6
Formal charge:0
Molecular weight:205.165 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1S,3R,4R,5E)-1,3,4-trihydroxy-5-(hydroxyimino)cyclohexanecarboxylic acid
OpenEye OEToolkits1.5.0(1S,3R,4R,5E)-1,3,4-trihydroxy-5-hydroxyimino-cyclohexane-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C1(O)CC(=N\O)/C(O)C(O)C1
SMILES_CANONICALCACTVS3.341O\N=C1/C[C@](O)(C[C@@H](O)[C@@H]1O)C(O)=O
SMILESCACTVS3.341ON=C1C[C](O)(C[CH](O)[CH]1O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1[C@H]([C@@H](/C(=N/O)/C[C@]1(C(=O)O)O)O)O
SMILESOpenEye OEToolkits1.5.0C1C(C(C(=NO)CC1(C(=O)O)O)O)O
InChIInChI1.03InChI=1S/C7H11NO6/c9-4-2-7(13,6(11)12)1-3(8-14)5(4)10/h4-5,9-10,13-14H,1-2H2,(H,11,12)/b8-3+/t4-,5-,7+/m1/s1
InChIKeyInChI1.03WASIBXJFRXJWAR-GKQOBJDDSA-N